NAME
     CalcBond - calculate bonds between close atoms

SYNOPSIS
     CalcBond expr ( 0 | 1 ) ( 0 | 1 )

DESCRIPTION
     Find pairs of selected atoms that have a small
     distance, but are not connected by a bond. An atom 
     pair is a candiate if the distance is less than the
     sum of the bond radii stored in the file:

	 $MOLMOLHOME/setup/AtomRadius

     Depending on the options, the command will create
     a report with the missing bonds, will add them to
     the structure, or both. Only bonds that appear in
     a minimal number of structures given as first
     argument appear in the report.

     In the report produced by this command, a table of
     bonds will be created for each set of molecules with
     the same structure. A '+' sign indicates that the
     bond was detected in the molecule corresponding to
     the column. The '+' sign is replaced by a '5' for
     molecules 5, 15, 25, ... and by a '0' for molecules
     10, 20, 30, ...

     This command is useful after reading a PDB file that
     contains unknown residues, or a DG file with
     unknown residues and missing connection informations.

     This command supports groups.

EXAMPLE
     CalcBond 5 1 0

SEE ALSO
     PathNames, ReadPdb, ReadDg, Group, AddBond

DATE
     981101
